tert-Butyl 3-methylpiperazine-1-carboxylate
Grundinformationen
- CAS
120737-59-9- Standard-SMILES
CC1CN(C(=O)OC(C)(C)C)CCN1- InChIKey
FMLPQHJYUZTHQS-UHFFFAOYSA-N- Summenformel
- C10H20N2O2
- Durchschnittliche Molmasse
- 200,28 g/mol
- Monoisotopische Masse
- 200,15247788
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl 3-methylpiperazine-1-carboxylate
- IUPAC
- tert-butyl 3-methylpiperazine-1-carboxylate
- Englischer Name
- 4-N-Boc-2-Methyl-piperazine
- Summenformel
- C10H20N2O2
- Molmasse
- 200.28
Namen und Synonyme
120737-59-9Tert-butyl 3-methylpiperazine-1-carboxylateDTXSID10373555RefChem:383423DTXCID10324587672-493-64-n-boc-2-methyl-piperazine1-boc-3-methylpiperazine4-N-Boc-2-methylpiperazine1-boc-3-methyl-piperazine(R)-4-Boc-2-methylpiperazine4-boc-2-methyl-piperazine
Weitere Namen anzeigen
Boc-3-methylpiperazine2-METHYL-4-BOC-PIPERAZINE4-BOC-2-METHYL PIPERAZINE1-N-Boc-3-methylpiperizineN-1-BOC-3-METHYL PIPERAZINEN-1-BOC-3-METHYL PIPERIZINE
MFCD030017061-PIPERAZINECARBOXYLIC ACID, 3-METHYL-, 1,1-DIMETHYLETHYL ESTER3-methyl-piperazine-1-carboxylic acid tert-butyl esterN-Boc-3-Methyl-Piperazine3-methylpiperazine-1-carboxylic acid tert-butyl estertert-Butyl 3-methyl-1-piperazinecarboxylateSCHEMBL16018CS-D0651
Datenbank-Bezeichner
- CAS
120737-59-9- PubChem CID
- 2756810
- DTXSID
DTXSID10373555- ChEMBL
CHEMBL5494484
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 41,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 211
Physikochemische Eigenschaften
- Siedepunkt
- 268.7 · 268.7±15.0 °C(Predicted)
- Dichte
- 0.997 · 0.997±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Löslichkeit
- Chloroform, DMSO, Ethyl Acetate
- pka
- 8.52 · 8.52±0.40(Predicted)
- Aggregatzustand
- Oil
- Farbe
- Clear Colourless
- InChI
- InChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3
- InChIKey
- FMLPQHJYUZTHQS-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCNC(C)C1
- CAS Datenbank
- 120737 · 120737-59-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- ridadr
- UN3077
- hs_code
- 29335990
- risk_code
- 36/37/38-50
- hazard_code
- Xi,N
- safety_code
- 26-36/37/39-61-37
Chemie und Industrie
Anwendungen
Verwenden4-N-Boc-2-methylpiperazine is a boc protetcted piperazine derivative used in the preparation of prazosin-related compounds with blocking activity toward α-adrenoreceptors.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
97
Notizen zur Verbindung
Wird geladen…